| Data | Títol | Autor(s) | Tipus | | 2023 | Fatty acid synthase (FASN) signalome: A molecular guide for precision oncology | Menendez, J. A.*; Cuyàs, E.; Encinar, J. A.; Steen, T. V.; Verdura, S.; Llop-Hernández, A.; López, J.; Serrano-Hervás, E.; Osuna, S.; Martin-Castillo, B.; Lupu, R.* | Article |
| 2023 | Decrypting Allostery in Membrane-Bound K-Ras4B Using Complementary In Silico Approaches Based on Unbiased Molecular Dynamics Simulations | Castelli, M.; Marchetti, F.; Osuna, S.; Oliveira, A. S. F.; Mulholland, A. J.; Serapian*, S. A.; Colombo, G* | Article |
| 2023 | Retracing the Rapid Evolution of an Herbicide-Degrading Enzyme by Protein Engineering | Busch, M. R.; Drexler, L.; Mahato, D.; Hiefinger, C.; Osuna, S.*; Sterner, R.* | Article |
| 2023 | C-H Bonds as Functional Groups: Simultaneous Generation of Multiple Stereocenters by Enantioselective Hydroxylation at Unactivated Tertiary C-H Bonds | Palone, A.; Casadevall, G.; Ruiz-Barragan, S.; Call, A.; Osuna, S.*; Bietti, M.*; Costas, M.* | Article |
| 2023 | AlphaFold2 and Deep Learning for Elucidating Enzyme Conformational Flexibility and Its Application for Design | Casadevall, G.; Duran, C.; Osuna, S.* | Article |
| 2023 | Harnessing the Structure and Dynamics of the Squalene-Hopene Cyclase for (−)-Ambroxide Production | Andreas Schneider, Christian Curado, Thomas B. Lystbaek, Sílvia Osuna, Bernhard Hauer | Article |
| 2022 | Brave new surfactant world revisited by thermoalkalophilic lipases: computational insights into the role of SDS as a substrate analog | Shehata, M.; Ünlü, A.; Iglesias-Fernández, J.; Osuna, S.; Sezerman, O. U.; Timucin, E. | Article |
| 2022 | Synthesis, In Vitro Profiling, and In Vivo Evaluation of Benzohomoadamantane-Based Ureas for Visceral Pain : | Pérez Fernández, Belén;Codony, Sandra;Entrena, José M.;Calvó-Tusell, Carla;Jora, Beatrice;González-Cano, Rafael;Osuna, Sílvia;Corpas, Rubén;Morisseau, Christophe;Barniol-Xicota, Marta;Griñán-Ferré, Christian;Pérez, Concepción;Rodríguez-Franco, María Isabel;Martínez, Antón L.;Loza, M. Isabel;Pallàs, Mercè;Verhelst, Steven H. L.;Sanfeliu i Pujol, Coral;Feixas, Ferran;Hammock, Bruce D.;Brea, José;Cobos, Enrique J.;Vázquez, Santiago | Article |
| 2022 | Estimating conformational heterogeneity of tryptophan synthase with a template-based Alphafold2 approach | Casadevall, G.; Duran, C.; Estévez-Gay, M.; Osuna, S.* | Article |
| 2022 | Time Evolution of the Millisecond Allosteric Activation of Imidazole Glycerol Phosphate Synthase | Calvó-Tusell, C.; Maria-Solano, M.*; Osuna, S.*; Feixas, F.* | Article |
| 2022 | Discovery and In Vivo Proof of Concept of a Highly Potent Dual Inhibitor of Soluble Epoxide Hydrolase and Acetylcholinesterase for the Treatment of Alzheimer's Disease | Codony, Sandra; Pont, Caterina; Griñán-Ferré, Christian; Di Pede-Mattatelli, Ania; Calvó-Tusell, Carla; Feixas, Ferran; Osuna, Sílvia; Jarné-Ferrer, Júlia; Naldi, Marina; Bartolini, Manuela; Loza, María Isabel; Brea, José; Pérez, Belén; Bartra, Clara; Sanfeliu, Coral; Juárez-Jiménez, Jordi; Morisseau, Christophe; Hammock, Bruce D.; Pallàs, Mercè; Vázquez, Santiago; Muñoz-Torrero, Diego | Article |
| 2021 | In Silico Identification and Experimental Validation of Distal Activity-Enhancing Mutations in Tryptophan Synthase | Maria-Solano, M.A.*; Kinateder, T.; Iglesias-Fernández, J.; Sterner, R.*; Osuna, S* | Article |
| 2021 | Biocatalysis | Elizabeth L. Bell; William Finnigan; Scott P. France; Anthony P. Green; Martin A. Hayes; Lorna J. Hepworth; Sarah L. Lovelock; Haruka Niikura; Sílvia Osuna; Elvira Romero; Katherine S. Ryan; Nicholas J. Turner; Sabine L. Flitsch | Article |
| 2021 | From the Design to the <i>In Vivo</i> Evaluation of Benzohomoadamantane-Derived Soluble Epoxide Hydrolase Inhibitors for the Treatment of Acute Pancreatitis | Codony, Sandra; Calvó-Tusell, Carla; Valverde, Elena; Osuna, Sílvia; Morisseau, Christophe; Loza, M. Isabel; Brea, José; Pérez, Concepción; Rodríguez-Franco, María Isabel; Pizarro-Delgado, Javier; Corpas, Rubén; Griñán-Ferré, Christian; Pallàs, Mercè; Sanfeliu, Coral; Vázquez-Carrera, Manuel; Hammock, Bruce D.; Feixas, Ferran; Vázquez, Santiago | Article |
| 2021 | The challenge of predicting distal active site mutations in computational enzyme design | Sílvia Osuna | Article |
| 2021 | Pervasive cooperative mutational effects on multiple catalytic enzyme traits emerge via long-range conformational dynamics | Carlos G. Acevedo-Rocha, Aitao Li, Lorenzo D'Amore, Sabrina Hoebenreich4, Joaquin Sanchis, Paul Lubrano, Matteo P. Ferla, Marc Garcia-Borràs, Sílvia Osuna, Manfred T. Reetz | Article |
| 2021 | Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2 | Wessel, Julia; Petrillo, Giovanna; Estevez-Gay, Miquel; Bosch, Sandra; Seeger, Margarita; Dijkman, Willem P.; Iglesias-Fernández, Javier; Hidalgo, Aurelio; Uson, Isabel; Osuna, Sílvia; Schallmey, Anett | Article |
| 2021 | SBMOpenMM: A Builder of Structure-Based Models for OpenMM | Floor, Martin; Li, Kengjie; Estévez-Gay, Miquel; Agulló, Luis; Muñoz-Torres, Pau Marc; Hwang, Jenn-Kang; Osuna, Sílvia; Villà-Freixa, Jordi | Article |
| 2020 | Conformational Landscapes of Halohydrin Dehalogenases and Their Accessible Active Site Tunnels | Miquel Estévez-Gay;Javier Iglesias-Fernández;Sílvia Osuna | Article |
| 2020 | Enzyme Conformation Influences the Performance of Lipase‐powered Nanomotors | Lei Wang, Marzia Marciello, Miquel Estévez-Gay, Paul E.D.S. Rodriguez, Yurena Luengo Morato, Javier Iglesias-Fernández, Xin Huang, Sílvia Osuna, Marco Filice, Samuel Sanchez. | Article |